Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 11/20 | 0.67 |
| ▸ | BTK | Q06187 | 6/20 | 0.64 |
| ▸ | JAK2 | O60674 | 2/20 | 0.61 |
| ▸ | BLK | P51451 | 2/20 | 0.61 |
| ▸ | BMX | P51813 | 2/20 | 0.61 |
| ▸ | JAK3 | P52333 | 2/20 | 0.61 |
| ▸ | CTSC | P53634 | 4/20 | 0.58 |
| ▸ | ITK | Q08881 | 3/20 | 0.58 |
| ▸ | PLK4 | O00444 | 1/20 | 0.55 |
| ▸ | GAK | O14976 | 1/20 | 0.55 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.55 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.55 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.55 |
| ▸ | DCLK3 | Q9C098 | 1/20 | 0.55 |
| ▸ | NUAK2 | Q9H093 | 1/20 | 0.55 |
| ▸ | EML4 | Q9HC35 | 1/20 | 0.55 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9945484 | 1.00 | EGFR (0.67) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL9945482 | 0.89 | EGFR (0.57) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL9946942 | 0.89 | EGFR (0.67) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL9945479 | 0.89 | BTK (0.65) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL16370708 | 0.89 | EGFR (0.73) | EGFRBTKCTSCITK | |
| SCHEMBL16391074 | 0.87 | EGFR (0.65) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL9946937 | 0.86 | EGFR (0.66) | EGFRBTKITK | |
| SCHEMBL21358332 | 0.83 | EGFR (0.59) | EGFRBTKJAK2BLKBMX | |
| SCHEMBL23899138 | 0.81 | MAP2K7 (0.59) | EGFRBTKCTSCITK | |
| SCHEMBL9924751 | 0.81 | EGFR (0.72) | EGFRBTKJAK2BLKBMX |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111393377-B | Deuterated pyrimidine derivative with anticancer effect | 四川大学华西医院 | 2022-04-05 | — | — | CN | disclosed |